7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C108H87F12N19O12 — CID 159859593

About 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 159859593) has the molecular formula C108H87F12N19O12 and a molecular weight of 2070.98 g/mol. Its IUPAC name is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
• PubChem CID: 159859593
• Molecular Formula: C108H87F12N19O12
• Molecular Weight: 2070.98 g/mol
• Exact Mass: 2069.66
• IUPAC Name: 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
• SMILES: CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
• InChI: InChI=1S/C24H19F5N4O2.C22H16F2N4O2.2C21H15F2N3O3.C20H22FN5O2/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26;1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24;22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28;22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28;1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34);2-7,9-11H,8H2,1H3,(H2,25,29);1-6,9H,7-8,10H2,(H2,24,29);1-4,7-9H,5-6,10H2,(H2,24,29);3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27)/t;;;;12-/m....0/s1
• InChIKey: NQYVCDDWOBPVNK-RQZVNLNJSA-N
• XLogP: 16.30
• TPSA: 458.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.98
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?

The IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 159859593) is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

What is the SMILES notation for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?

The canonical SMILES for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1.

What is the InChIKey of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?

The InChIKey is NQYVCDDWOBPVNK-RQZVNLNJSA-N. The full InChI is InChI=1S/C24H19F5N4O2.C22H16F2N4O2.2C21H15F2N3O3.C20H22FN5O2/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26;1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24;22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28;22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28;1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34);2-7,9-11H,8H2,1H3,(H2,25,29);1-6,9H,7-8,10H2,(H2,24,29);1-4,7-9H,5-6,10H2,(H2,24,29);3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27)/t;;;;12-/m....0/s1.

What are the key properties of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?

7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 2070.98 g/mol, XLogP of 16.30, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 159859593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).